#------------------------------------------------------------------------------
#$Date: 2010-10-21 19:43:23 +0200 (Thu, 21 Oct 2010) $
#$Revision: 1653 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100128.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2100128
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  359
_journal_page_last  359
loop_
_publ_author_name
  'Richard E. Marsh'
_publ_section_title
;
Space group P1: an update
;
_[local]_cod_chemical_formula_sum_orig 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  7.2685
_cell_length_b  9.0937
_cell_length_c  9.7803
_cell_angle_alpha  74.54
_cell_angle_beta  84.60
_cell_angle_gamma  72.68
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Cu1 0.35441 0.30812 0.72523 Cu
  Cl 0.11520 0.15840 0.78915 Cl
  O1 0.46525 0.26195 0.92455 O
  O2 0.59830 0.12385 0.77540 O
  N1 0.37905 0.33725 0.51780 N
  N2 0.16430 0.59900 0.46125 N
  N3 0.19210 0.52780 0.71160 N
  C1 0.49295 0.21145 0.47085 C
  C2 0.51525 0.21115 0.33030 C
  C3 0.41660 0.34590 0.23100 C
  C4 0.30005 0.47460 0.27595 C
  C5 0.28375 0.46665 0.42155 C
  C6 0.12285 0.63480 0.59095 C
  C7 0.00430 0.78840 0.59090 C
  C8 -0.03960 0.83065 0.71705 C
  C9 0.03250 0.72055 0.84215 C
  C10 0.14520 0.57260 0.83505 C
  C11 0.59415 0.14890 0.89515 C
  H1 0.56900 0.12900 0.53900 H
  H2 0.60030 0.12395 0.29830 H
  H3 0.42850 0.35850 0.12950 H
  H4 0.22995 0.56620 0.20820 H
  H5 0.08945 0.66470 0.39460 H
  H6 -0.04150 0.86000 0.49900 H
  H7 -0.11250 0.93100 0.71050 H
  H8 0.00550 0.74300 0.92350 H
  H9 0.19170 0.49510 0.92095 H
  H10 0.68550 0.07400 0.98150 H
_cod_database_code 2100128